Basic information
- Standard SMILES
C=C(Br)CC(CO)CO- InChIKey
VNRMZEYOKAVMTB-UHFFFAOYSA-N- Molecular formula
- C6H11BrO2
- Average molar mass
- 195.05 g/mol
Names & identifiers
- Preferred name
- 2-(2-Bromoallyl)propane-1,3-diol
- IUPAC
- 2-(2-bromoprop-2-enyl)propane-1,3-diol
Names & synonyms
SCHEMBL390834VNRMZEYOKAVMTB-UHFFFAOYSA-N2-(2-Bromoallyl)propane-1,3-diol
Database identifiers
- PubChem CID
- 59386352
- Nikkaji
- J1.873.440K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89.1
Related reactions
5 records
Compound notes
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